Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening

X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targetsPfA-M1 andPfA-M17

(2015) Nyssa Drinkwater et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Beware of docking!

(2015) Yu-Chian Chen   TRENDS IN PHARMACOLOGICAL SCIENCES

MX1: a bending-magnet crystallography beamline serving both chemical and macromolecular crystallography communities at the Australian Synchrotron

(2015) Nathan Philip Cowieson et al.   JOURNAL OF SYNCHROTRON RADIATION

Screening the Medicines for Malaria Venture "Malaria Box" against the Plasmodium falciparum Aminopeptidases, M1, M17 and M18

(2015) Alessandro Paiardini et al.   PLoS One

Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors

(2014) Shailesh N. Mistry et al.   JOURNAL OF MEDICINAL CHEMISTRY

Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics programDivConinto thePHENIXrefinement package

(2014) Oleg Y. Borbulevych et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Experiences with making diffraction image data available: what metadata do we need to archive?

(2014) Loes M. J. Kroon-Batenburg et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Synthesis and Structure–Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum

(2013) Komagal Kannan Sivaraman et al.   JOURNAL OF MEDICINAL CHEMISTRY

A molecular marker of artemisinin-resistant Plasmodium falciparum malaria

(2013) Frédéric Ariey et al.   NATURE

Antimalarial drug discovery — approaches and progress towards new medicines

(2013) Erika L. Flannery et al.   NATURE REVIEWS MICROBIOLOGY

A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function

(2012) Nadine Schneider et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

(2012) Michael M. Mysinger et al.   JOURNAL OF MEDICINAL CHEMISTRY

Fingerprinting the Substrate Specificity of M1 and M17 Aminopeptidases of Human Malaria, Plasmodium falciparum

(2012) Marcin Poreba et al.   PLoS One

iMOSFLM: a new graphical interface for diffraction-image processing withMOSFLM

(2011) T. Geoff G. Battye et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies

(2011) Shalini John et al.   BMC BIOINFORMATICS

Bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases

(2011) M. B. Harbut et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases

(2010) S. McGowan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural basis for the inhibition of the essentialPlasmodium falciparumM1 neutral aminopeptidase

(2009) Sheena McGowan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Plasmodium falciparum neutral aminopeptidases: new targets for anti-malarials

(2009) Tina S. Skinner-Adams et al.   TRENDS IN BIOCHEMICAL SCIENCES